N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide

C27H22ClN5O2 — CID 19273335

About N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19273335) has the molecular formula C27H22ClN5O2 and a molecular weight of 483.96 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
• PubChem CID: 19273335
• Molecular Formula: C27H22ClN5O2
• Molecular Weight: 483.96 g/mol
• Exact Mass: 483.15
• IUPAC Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
• SMILES: O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1
• InChI: InChI=1S/C27H22ClN5O2/c28-23-10-6-20(7-11-23)17-33-18-24(16-29-33)30-27(34)26-14-15-32(31-26)19-35-25-12-8-22(9-13-25)21-4-2-1-3-5-21/h1-16,18H,17,19H2,(H,30,34)
• InChIKey: GMSZVQUNUXVGBD-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.96
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?

The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide (CID 19273335) is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide.

What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?

The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide is O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1.

What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?

The InChIKey is GMSZVQUNUXVGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN5O2/c28-23-10-6-20(7-11-23)17-33-18-24(16-29-33)30-27(34)26-14-15-32(31-26)19-35-25-12-8-22(9-13-25)21-4-2-1-3-5-21/h1-16,18H,17,19H2,(H,30,34).

What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 483.96 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19273335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).